ethane;2-fluoro-5-propan-2-yl-4-(trifluoromethyl)pyridine

C11H15F4N — CID 144749638

IUPACethane;2-fluoro-5-propan-2-yl-4-(trifluoromethyl)pyridine
SMILESCC.CC(C)c1cnc(F)cc1C(F)(F)F
InChIInChI=1S/C9H9F4N.C2H6/c1-5(2)6-4-14-8(10)3-7(6)9(11,12)13;1-2/h3-5H,1-2H3;1-2H3
InChIKeyUBKUUTMNHFHNJT-UHFFFAOYSA-N
MW237.24 g/mol
LogP4.39
Rot. Bonds1

About ethane;2-fluoro-5-propan-2-yl-4-(trifluoromethyl)pyridine

ethane;2-fluoro-5-propan-2-yl-4-(trifluoromethyl)pyridine (PubChem CID 144749638) has the molecular formula C11H15F4N and a molecular weight of 237.24 g/mol. Its IUPAC name is ethane;2-fluoro-5-propan-2-yl-4-(trifluoromethyl)pyridine.

Molecular Properties

Compound Nameethane;2-fluoro-5-propan-2-yl-4-(trifluoromethyl)pyridine
PubChem CID144749638
Molecular FormulaC11H15F4N
Molecular Weight237.24 g/mol
Exact Mass237.11
IUPAC Nameethane;2-fluoro-5-propan-2-yl-4-(trifluoromethyl)pyridine
SMILESCC.CC(C)c1cnc(F)cc1C(F)(F)F
InChIInChI=1S/C9H9F4N.C2H6/c1-5(2)6-4-14-8(10)3-7(6)9(11,12)13;1-2/h3-5H,1-2H3;1-2H3
InChIKeyUBKUUTMNHFHNJT-UHFFFAOYSA-N
XLogP4.39
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.24
LogP ≤ 54.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of ethane;2-fluoro-5-propan-2-yl-4-(trifluoromethyl)pyridine?
The IUPAC name of ethane;2-fluoro-5-propan-2-yl-4-(trifluoromethyl)pyridine (CID 144749638) is ethane;2-fluoro-5-propan-2-yl-4-(trifluoromethyl)pyridine.
What is the SMILES notation for ethane;2-fluoro-5-propan-2-yl-4-(trifluoromethyl)pyridine?
The canonical SMILES for ethane;2-fluoro-5-propan-2-yl-4-(trifluoromethyl)pyridine is CC.CC(C)c1cnc(F)cc1C(F)(F)F.
What is the InChIKey of ethane;2-fluoro-5-propan-2-yl-4-(trifluoromethyl)pyridine?
The InChIKey is UBKUUTMNHFHNJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9F4N.C2H6/c1-5(2)6-4-14-8(10)3-7(6)9(11,12)13;1-2/h3-5H,1-2H3;1-2H3.
What are the key properties of ethane;2-fluoro-5-propan-2-yl-4-(trifluoromethyl)pyridine?
ethane;2-fluoro-5-propan-2-yl-4-(trifluoromethyl)pyridine has a molecular weight of 237.24 g/mol, XLogP of 4.39, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-fluoro-5-propan-2-yl-4-(trifluoromethyl)pyridine is sourced from PubChem (CID 144749638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).